{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Radzhabov AD"],"funding":["Ministry of Science and Higher Education of the Russian Federation","Russian Science Foundation"],"pagination":["14642"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10573078"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["24(19)"],"pubmed_abstract":["We designed 0D, 1D, and 2D supramolecular assemblies made of diaryliodonium salts (functioning as double σ-hole donors) and carboxylates (as σ-hole acceptors). The association was based on two charge-supported halogen bonds (XB), which occurred between I<sup>III</sup> sites of the iodonium cations and the carboxylate anions. The sequential introduction of the carboxylic groups in the aryl ring of the benzoic acid added a dimension to the 0D supramolecular organization of the benzoate, which furnished 1D-chained and 2D-layered structures when terephthalate and trimesate anions, correspondingly, were applied as XB acceptors. The structure-directing XB were studied using DFT calculations under periodic boundary conditions and were followed by the one-electron-potential analysis and the Bader atoms-in-molecules topological analysis of electron density. These theoretical methods confirmed the existence of the XB and verified the philicities of the interaction partners in the designed solid-state structures."],"journal":["International journal of molecular sciences"],"pubmed_title":["Halogen Bond-Involving Self-Assembly of Iodonium Carboxylates: Adding a Dimension to Supramolecular Architecture."],"pmcid":["PMC10573078"],"funding_grant_id":["23-73-10091","075-15-2021-585"],"pubmed_authors":["Soldatova NS","Fedorova II","Kukushkin VY","Radzhabov AD","Yusubov MS","Postnikov PS","Ivanov DM","Ivanov AA","Ledneva AI"],"additional_accession":[]},"is_claimable":false,"name":"Halogen Bond-Involving Self-Assembly of Iodonium Carboxylates: Adding a Dimension to Supramolecular Architecture.","description":"We designed 0D, 1D, and 2D supramolecular assemblies made of diaryliodonium salts (functioning as double σ-hole donors) and carboxylates (as σ-hole acceptors). The association was based on two charge-supported halogen bonds (XB), which occurred between I<sup>III</sup> sites of the iodonium cations and the carboxylate anions. The sequential introduction of the carboxylic groups in the aryl ring of the benzoic acid added a dimension to the 0D supramolecular organization of the benzoate, which furnished 1D-chained and 2D-layered structures when terephthalate and trimesate anions, correspondingly, were applied as XB acceptors. The structure-directing XB were studied using DFT calculations under periodic boundary conditions and were followed by the one-electron-potential analysis and the Bader atoms-in-molecules topological analysis of electron density. These theoretical methods confirmed the existence of the XB and verified the philicities of the interaction partners in the designed solid-state structures.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Sep","modification":"2024-11-08T13:12:09.172Z","creation":"2024-11-08T13:12:09.172Z"},"accession":"S-EPMC10573078","cross_references":{"pubmed":["37834088"],"doi":["10.3390/ijms241914642"]}}